A METHOD FOR DETERMINING OVERALL PROTEIN FOLD FROM NMR DISTANCE RESTRAINTS

被引：10

作者：

HOCH, JC

STERN, AS

机构：

[1] The Rowland Institute for Science, Cambridge, 02142, MA

来源：

JOURNAL OF BIOMOLECULAR NMR | 1992年 / 2卷 / 06期

关键词：

PROTEIN FOLD; DISTANCE RESTRAINT; MOLECULAR DYNAMICS; DISTANCE GEOMETRY; REDUCED REPRESENTATION; STRUCTURE DETERMINATION;

D O I：

10.1007/BF02192843

中图分类号：

Q5 [生物化学]; Q7 [分子生物学];

学科分类号：

071010 ; 081704 ;

摘要：

We describe a simple method for determining the overall fold of a polypeptide chain from NOE-derived distance restraints. The method uses a reduced representation consisting of two particles per residue, and a force field containing pseudo-bond and pseudo-angle terms, an 'electrostatic' term, but no van der Waals or hard shell repulsive terms. The method is fast and robust, requiring relatively few distance restraints to approximate the correct fold, and the correct mirror image is readily determined. The method is easily implemented using commercially available molecular modeling software.

引用

收藏

页码：535 / 543

页数：9

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